1-[2-(1-aminoethyl)-5-methoxyphenoxy]-3-phenylmethoxypropan-2-ol

C19H25NO4 — CID 113341049

IUPAC1-[2-(1-aminoethyl)-5-methoxyphenoxy]-3-phenylmethoxypropan-2-ol
SMILESCOc1ccc(C(C)N)c(OCC(O)COCc2ccccc2)c1
InChIInChI=1S/C19H25NO4/c1-14(20)18-9-8-17(22-2)10-19(18)24-13-16(21)12-23-11-15-6-4-3-5-7-15/h3-10,14,16,21H,11-13,20H2,1-2H3
InChIKeyVBFOSJUWJZUULO-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.67
Rot. Bonds9

About 1-[2-(1-aminoethyl)-5-methoxyphenoxy]-3-phenylmethoxypropan-2-ol

1-[2-(1-aminoethyl)-5-methoxyphenoxy]-3-phenylmethoxypropan-2-ol (PubChem CID 113341049) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)-5-methoxyphenoxy]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)-5-methoxyphenoxy]-3-phenylmethoxypropan-2-ol
PubChem CID113341049
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name1-[2-(1-aminoethyl)-5-methoxyphenoxy]-3-phenylmethoxypropan-2-ol
SMILESCOc1ccc(C(C)N)c(OCC(O)COCc2ccccc2)c1
InChIInChI=1S/C19H25NO4/c1-14(20)18-9-8-17(22-2)10-19(18)24-13-16(21)12-23-11-15-6-4-3-5-7-15/h3-10,14,16,21H,11-13,20H2,1-2H3
InChIKeyVBFOSJUWJZUULO-UHFFFAOYSA-N
XLogP2.67
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine
CID 82000674
1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894473
4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol
CID 113398869
1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106450545
1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine
CID 82000622
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol
CID 82850808
(2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 6977010
3-[[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]methyl]benzonitrile
CID 82000539
2-(2-hydroxy-3-phenylmethoxypropoxy)-4-propoxybenzaldehyde
CID 113235685
4-[[4-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]methoxy]butane-1,3-diol
CID 138539275
(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine
CID 82002712
1-[4-[(2-methylpropylamino)methyl]phenoxy]-3-phenylmethoxypropan-2-ol
CID 113235681

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)-5-methoxyphenoxy]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[2-(1-aminoethyl)-5-methoxyphenoxy]-3-phenylmethoxypropan-2-ol (CID 113341049) is 1-[2-(1-aminoethyl)-5-methoxyphenoxy]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[2-(1-aminoethyl)-5-methoxyphenoxy]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[2-(1-aminoethyl)-5-methoxyphenoxy]-3-phenylmethoxypropan-2-ol is COc1ccc(C(C)N)c(OCC(O)COCc2ccccc2)c1.
What is the InChIKey of 1-[2-(1-aminoethyl)-5-methoxyphenoxy]-3-phenylmethoxypropan-2-ol?
The InChIKey is VBFOSJUWJZUULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-14(20)18-9-8-17(22-2)10-19(18)24-13-16(21)12-23-11-15-6-4-3-5-7-15/h3-10,14,16,21H,11-13,20H2,1-2H3.
What are the key properties of 1-[2-(1-aminoethyl)-5-methoxyphenoxy]-3-phenylmethoxypropan-2-ol?
1-[2-(1-aminoethyl)-5-methoxyphenoxy]-3-phenylmethoxypropan-2-ol has a molecular weight of 331.41 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)-5-methoxyphenoxy]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 113341049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).